1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine

C13H24F2N2 — CID 114224380

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine
SMILESCC1CCN(CC2CCCC(F)(F)C2)CC1N
InChIInChI=1S/C13H24F2N2/c1-10-4-6-17(9-12(10)16)8-11-3-2-5-13(14,15)7-11/h10-12H,2-9,16H2,1H3
InChIKeySAISULOCFWDYCA-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.48
Rot. Bonds2

About 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine

1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine (PubChem CID 114224380) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine
PubChem CID114224380
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine
SMILESCC1CCN(CC2CCCC(F)(F)C2)CC1N
InChIInChI=1S/C13H24F2N2/c1-10-4-6-17(9-12(10)16)8-11-3-2-5-13(14,15)7-11/h10-12H,2-9,16H2,1H3
InChIKeySAISULOCFWDYCA-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
CID 114225345
1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 114223582
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine
CID 114224164
1-[(3-amino-4-methylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65212437
2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
CID 114224344
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114224136
1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 114224493
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
1-(2-cyclohexylethyl)-4-methylpyrrolidin-3-amine
CID 103575423
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine (CID 114224380) is 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine is CC1CCN(CC2CCCC(F)(F)C2)CC1N.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine?
The InChIKey is SAISULOCFWDYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-10-4-6-17(9-12(10)16)8-11-3-2-5-13(14,15)7-11/h10-12H,2-9,16H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine?
1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine has a molecular weight of 246.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 114224380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).